2-morpholinophenylboronic acid(contains varying amounts of anhydride) - ≥98% , CAS No.933052-52-9

CAS: 933052-52-9 Cat. No.: M195911 Fórmula: C₁₀H₁₄BNO₃ Peso molecular: 207.03 Número EC: 108-777-9

GRADE & PURITY ≥98%

Synonyms

DS-15967 | EN300-317156 | (2-Morpholinophenyl)boronic acid | 2-(morpholino)phenylboronic acid, AldrichCPR | AMY32766 | AB13491 | AKOS015856038 | 2-(MORPHOLIN-4-YL)PHENYLBORONIC ACID | [2-(morpholin-4-yl)phenyl]boronic acid | s11282 | SY110349 | 2-Morpholi

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

DS-15967 | EN300-317156 | (2-Morpholinophenyl)boronic acid | 2-(morpholino)phenylboronic acid, AldrichCPR | AMY32766 | AB13491 | AKOS015856038 | 2-(MORPHOLIN-4-YL)PHENYLBORONIC ACID | [2-(morpholin-4-yl)phenyl]boronic acid | s11282 | SY110349 | 2-Morpholi

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC=CC=C1N2CCOCC2)(O)O
• IUPAC Name: (2-morpholin-4-ylphenyl)boronic acid
• InChIKey: ICRHNMKDEVGGGH-UHFFFAOYSA-N
• INCHI: 1S/C10H14BNO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4,13-14H,5-8H2
• Isómeros SMILES: B(C1=CC=CC=C1N2CCOCC2)(O)O
• CAS alternativo: 1050505-83-3
• Peso molecular: 207.03
• Reaxy-Rn: 15480348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15480348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Boronic acids Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Boronic acid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic metalloid salt - Organic metalloid moeity - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 207.040 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 207.107 Da
• Monoisotopic Mass: 207.107 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 197.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3